N-[(E)-furan-2-ylmethylideneamino]-3-(4-propoxyphenyl)propanamide

C17H20N2O3 — CID 6888502

IUPACN-[(E)-furan-2-ylmethylideneamino]-3-(4-propoxyphenyl)propanamide
SMILESCCCOc1ccc(CCC(=O)N/N=C/c2ccco2)cc1
InChIInChI=1S/C17H20N2O3/c1-2-11-21-15-8-5-14(6-9-15)7-10-17(20)19-18-13-16-4-3-12-22-16/h3-6,8-9,12-13H,2,7,10-11H2,1H3,(H,19,20)/b18-13+
InChIKeyZKKJHRBETDTKSI-QGOAFFKASA-N
MW300.36 g/mol
LogP3.15
Rot. Bonds8

About N-[(E)-furan-2-ylmethylideneamino]-3-(4-propoxyphenyl)propanamide

N-[(E)-furan-2-ylmethylideneamino]-3-(4-propoxyphenyl)propanamide (PubChem CID 6888502) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[(E)-furan-2-ylmethylideneamino]-3-(4-propoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(E)-furan-2-ylmethylideneamino]-3-(4-propoxyphenyl)propanamide
PubChem CID6888502
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-[(E)-furan-2-ylmethylideneamino]-3-(4-propoxyphenyl)propanamide
SMILESCCCOc1ccc(CCC(=O)N/N=C/c2ccco2)cc1
InChIInChI=1S/C17H20N2O3/c1-2-11-21-15-8-5-14(6-9-15)7-10-17(20)19-18-13-16-4-3-12-22-16/h3-6,8-9,12-13H,2,7,10-11H2,1H3,(H,19,20)/b18-13+
InChIKeyZKKJHRBETDTKSI-QGOAFFKASA-N
XLogP3.15
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-3-(4-propoxyphenyl)propanamide?
The IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-3-(4-propoxyphenyl)propanamide (CID 6888502) is N-[(E)-furan-2-ylmethylideneamino]-3-(4-propoxyphenyl)propanamide.
What is the SMILES notation for N-[(E)-furan-2-ylmethylideneamino]-3-(4-propoxyphenyl)propanamide?
The canonical SMILES for N-[(E)-furan-2-ylmethylideneamino]-3-(4-propoxyphenyl)propanamide is CCCOc1ccc(CCC(=O)N/N=C/c2ccco2)cc1.
What is the InChIKey of N-[(E)-furan-2-ylmethylideneamino]-3-(4-propoxyphenyl)propanamide?
The InChIKey is ZKKJHRBETDTKSI-QGOAFFKASA-N. The full InChI is InChI=1S/C17H20N2O3/c1-2-11-21-15-8-5-14(6-9-15)7-10-17(20)19-18-13-16-4-3-12-22-16/h3-6,8-9,12-13H,2,7,10-11H2,1H3,(H,19,20)/b18-13+.
What are the key properties of N-[(E)-furan-2-ylmethylideneamino]-3-(4-propoxyphenyl)propanamide?
N-[(E)-furan-2-ylmethylideneamino]-3-(4-propoxyphenyl)propanamide has a molecular weight of 300.36 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-furan-2-ylmethylideneamino]-3-(4-propoxyphenyl)propanamide is sourced from PubChem (CID 6888502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).